#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fe8 s ASP 922 N 0.00 6.93 0.42 3.54 3.68 -1.26 -2.35 116.67 127.62 1fe8 s ASP 922 Ca 0.00 2.17 0.29 0.00 2.13 0.00 0.00 52.55 57.15 1fe8 s ASP 922 Cb 0.00 -2.58 1.31 0.00 -1.45 0.00 0.00 42.92 40.20 1fe8 s ASP 922 CO 0.00 -0.59 1.88 0.00 0.13 0.00 0.00 175.17 176.59 1fe8 n SER 924 N -2.63 3.34 -4.44 0.00 3.41 -1.26 -4.89 113.62 107.14 1fe8 n SER 924 Ca 0.01 -3.47 -0.22 0.00 -0.26 0.00 0.00 58.87 54.92 1fe8 n SER 924 Cb 0.21 -0.65 -0.10 0.00 -0.26 0.00 0.00 64.21 63.41 1fe8 n SER 924 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1fe8 s GLN 925 N -3.10 1.59 0.07 4.33 -1.52 -1.03 -4.90 119.66 115.10 1fe8 s GLN 925 Ca 0.47 -1.76 -0.35 0.00 -1.95 0.00 0.00 55.36 51.77 1fe8 s GLN 925 Cb 0.40 -1.48 -0.14 0.00 -0.22 0.00 0.00 33.01 31.57 1fe8 s GLN 925 CO 0.05 0.20 1.58 -2.30 -0.25 0.00 0.00 175.29 174.58 1fe8 n PRO 926 N -0.58 1.83 -3.67 2.91 -0.02 -0.97 -4.57 135.00 129.92 1fe8 n PRO 926 Ca -0.06 0.66 -0.17 0.00 -2.02 0.00 0.00 63.50 61.91 1fe8 n PRO 926 Cb 0.61 -2.41 -0.16 0.00 -0.02 0.00 0.00 33.50 31.53 1fe8 n PRO 926 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1fe8 s LEU 927 N 1.50 -0.01 -0.26 2.45 2.96 -0.64 -1.17 118.68 123.52 1fe8 s LEU 927 Ca 0.84 0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 54.93 1fe8 s LEU 927 Cb -0.78 0.22 -0.05 0.00 0.50 0.00 0.00 46.19 46.08 1fe8 s LEU 927 CO 0.44 -0.24 0.19 -1.81 -1.32 0.00 0.00 176.35 173.61 1fe8 s ASP 928 N 2.22 6.09 -0.03 3.68 1.01 0.36 -1.00 116.67 129.00 1fe8 s ASP 928 Ca 0.03 0.08 0.03 0.00 0.71 0.00 0.00 52.55 53.40 1fe8 s ASP 928 Cb -0.12 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.69 1fe8 s ASP 928 CO -0.05 0.01 -0.11 0.54 0.21 0.00 0.00 175.17 175.76 1fe8 s VAL 929 N 1.37 0.98 -0.11 -1.27 0.11 -0.69 -1.43 120.40 119.36 1fe8 s VAL 929 Ca 0.08 -0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 58.65 1fe8 s VAL 929 Cb -0.15 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1fe8 s VAL 929 CO 0.07 0.30 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.45 1fe8 s ILE 930 N 0.17 3.70 -0.40 7.04 1.01 -0.02 -1.26 121.20 131.44 1fe8 s ILE 930 Ca -0.04 -0.45 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 1fe8 s ILE 930 Cb -0.10 -2.56 0.06 0.00 0.01 0.00 0.00 42.46 39.87 1fe8 s ILE 930 CO 0.01 0.55 0.25 -0.76 0.00 0.00 0.00 174.94 174.98 1fe8 s LEU 931 N -0.21 5.01 -0.75 2.97 1.43 -0.21 -0.75 118.68 126.16 1fe8 s LEU 931 Ca 0.03 -1.30 -0.16 0.00 -1.03 0.00 0.00 54.13 51.67 1fe8 s LEU 931 Cb -0.13 -2.01 0.17 0.00 0.03 0.00 0.00 46.19 44.26 1fe8 s LEU 931 CO 0.03 -0.49 0.75 -0.22 0.23 0.00 0.00 176.35 176.65 1fe8 s LEU 932 N 1.48 6.24 0.52 1.79 2.96 0.02 -1.00 118.68 130.69 1fe8 s LEU 932 Ca 0.02 -2.26 -0.19 0.00 -0.22 0.00 0.00 54.13 51.49 1fe8 s LEU 932 Cb -0.22 -2.25 -0.07 0.00 0.50 0.00 0.00 46.19 44.16 1fe8 s LEU 932 CO 0.04 -0.77 1.06 -0.76 -1.32 0.00 0.00 176.35 174.60 1fe8 s LEU 933 N 1.12 3.76 -0.45 -0.68 1.43 0.98 -2.16 118.68 122.70 1fe8 s LEU 933 Ca 0.16 1.95 -0.28 0.00 -1.03 0.00 0.00 54.13 54.93 1fe8 s LEU 933 Cb -0.15 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.53 1fe8 s LEU 933 CO -0.05 -0.93 1.08 -0.62 0.23 0.00 0.00 176.35 176.06 1fe8 s ASP 934 N -2.10 6.66 -0.14 2.29 -1.08 -1.26 -1.72 116.67 119.32 1fe8 s ASP 934 Ca 0.67 0.50 0.15 0.00 -0.52 0.00 0.00 52.55 53.36 1fe8 s ASP 934 Cb -0.18 -2.53 0.51 0.00 -1.46 0.00 0.00 42.92 39.27 1fe8 s ASP 934 CO 0.24 -1.14 1.41 0.61 0.52 0.00 0.00 175.17 176.82 1fe8 n GLY 935 N 4.69 3.64 3.78 2.66 0.00 -0.13 -4.88 105.19 114.95 1fe8 n GLY 935 Ca 0.11 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 1fe8 n GLY 935 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fe8 s SER 936 N -1.62 5.48 0.09 1.61 1.04 -1.10 -0.11 113.70 119.09 1fe8 s SER 936 Ca 0.39 1.97 0.26 0.00 0.48 0.00 0.00 55.95 59.05 1fe8 s SER 936 Cb 0.30 -2.55 1.00 0.00 0.10 0.00 0.00 66.02 64.87 1fe8 s SER 936 CO 0.11 -1.38 1.80 -1.20 0.98 0.00 0.00 173.24 173.56 1fe8 n SER 937 N -2.03 0.31 0.22 7.02 7.64 -0.22 -4.07 113.62 122.48 1fe8 n SER 937 Ca 0.10 0.54 0.07 0.00 1.01 0.00 0.00 58.87 60.59 1fe8 n SER 937 Cb 0.52 -0.62 0.60 0.00 -1.01 0.00 0.00 64.21 63.70 1fe8 n SER 937 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1fe8 h SER 938 N 0.00 0.08 -1.79 6.43 4.64 -1.93 -3.44 113.55 117.53 1fe8 h SER 938 Ca 0.00 -0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.88 1fe8 h SER 938 Cb 0.53 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1fe8 h SER 938 CO 0.00 0.06 -0.28 0.72 -0.87 0.00 0.00 176.83 176.46 1fe8 s PHE 939 N -5.12 3.02 0.18 4.77 -0.12 -1.26 -5.06 117.98 114.40 1fe8 s PHE 939 Ca -0.05 -0.23 -0.31 0.00 -0.05 0.00 0.00 56.93 56.28 1fe8 s PHE 939 Cb 0.17 -2.17 -0.10 0.00 -0.63 0.00 0.00 43.02 40.29 1fe8 s PHE 939 CO 0.68 -0.20 1.51 -2.14 -0.05 0.00 0.00 175.22 175.02 1fe8 s PRO 940 N -4.28 4.24 0.31 1.99 0.02 -1.26 -4.91 135.00 131.11 1fe8 s PRO 940 Ca 0.49 2.31 0.09 0.00 0.02 0.00 0.00 61.00 63.90 1fe8 s PRO 940 Cb -0.10 -3.15 0.88 0.00 0.02 0.00 0.00 34.50 32.14 1fe8 s PRO 940 CO 0.33 -0.53 1.71 0.00 -0.33 0.00 0.00 177.00 178.17 1fe8 h ALA 941 N 6.30 1.72 -0.27 -1.55 0.00 -1.96 0.69 119.26 124.19 1fe8 h ALA 941 Ca -0.43 0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.70 1fe8 h ALA 941 Cb 1.21 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1fe8 h ALA 941 CO 0.87 -0.34 0.30 0.66 0.00 0.00 0.00 179.25 180.75 1fe8 h SER 942 N 0.49 0.00 -0.82 0.00 4.64 -2.04 -1.15 113.55 114.67 1fe8 h SER 942 Ca 0.64 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.97 1fe8 h SER 942 Cb 1.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 1fe8 h SER 942 CO -0.51 0.00 0.54 1.88 -0.87 0.00 0.00 176.83 177.87 1fe8 h TYR 943 N 0.00 1.02 -0.79 4.77 -1.99 -1.23 -3.15 116.97 115.60 1fe8 h TYR 943 Ca 0.13 0.02 0.11 0.00 2.00 0.00 0.00 58.73 60.99 1fe8 h TYR 943 Cb 0.73 -0.34 -0.08 0.00 2.00 0.00 0.00 36.73 39.04 1fe8 h TYR 943 CO 0.00 0.62 0.41 0.35 -0.00 0.00 0.00 178.16 179.54 1fe8 h PHE 944 N 1.08 0.73 0.00 4.88 3.57 -1.36 1.00 116.94 126.85 1fe8 h PHE 944 Ca 0.31 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 1fe8 h PHE 944 Cb -0.09 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.44 1fe8 h PHE 944 CO -0.02 0.24 -0.09 0.22 -2.23 0.00 0.00 178.31 176.44 1fe8 h ASP 945 N 0.66 0.00 0.00 0.41 -0.00 -1.70 -0.14 116.42 115.65 1fe8 h ASP 945 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.43 1fe8 h ASP 945 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.80 1fe8 h ASP 945 CO -0.30 0.09 0.00 -0.62 -0.00 0.00 0.00 179.24 178.41 1fe8 n GLU 946 N -4.02 0.63 0.00 0.28 -0.58 0.34 -1.66 120.64 115.64 1fe8 n GLU 946 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1fe8 n GLU 946 Cb 0.17 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 1fe8 n GLU 946 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1fe8 n LYS 948 N 0.48 0.00 -0.11 3.49 5.02 -0.07 -0.78 118.16 126.19 1fe8 n LYS 948 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1fe8 n LYS 948 Cb 0.25 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.33 1fe8 n LYS 948 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1fe8 h SER 949 N 0.00 0.85 -0.15 4.39 0.87 -1.57 -0.86 113.55 117.08 1fe8 h SER 949 Ca 0.00 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.26 1fe8 h SER 949 Cb 0.00 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1fe8 h SER 949 CO 0.00 1.02 0.07 0.15 -0.53 0.00 0.00 176.83 177.54 1fe8 h PHE 950 N 0.73 0.21 -0.23 2.24 3.57 -1.23 -0.61 116.94 121.63 1fe8 h PHE 950 Ca 0.10 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.63 1fe8 h PHE 950 Cb 0.72 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 1fe8 h PHE 950 CO 0.04 0.26 0.02 0.00 -2.23 0.00 0.00 178.31 176.40 1fe8 h ALA 951 N 0.93 0.22 -0.41 2.41 0.00 -1.76 -0.04 119.26 120.61 1fe8 h ALA 951 Ca 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1fe8 h ALA 951 Cb 0.13 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1fe8 h ALA 951 CO -0.01 -0.40 0.18 0.87 0.00 0.00 0.00 179.25 179.89 1fe8 h LYS 952 N 0.10 0.58 -0.33 0.00 1.57 -1.03 -0.51 116.57 116.95 1fe8 h LYS 952 Ca 0.11 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1fe8 h LYS 952 Cb 0.13 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1fe8 h LYS 952 CO -0.17 0.47 -0.35 0.00 -0.57 0.00 0.00 179.45 178.83 1fe8 h ALA 953 N 1.62 0.75 0.22 3.86 0.00 -0.26 -0.89 119.26 124.56 1fe8 h ALA 953 Ca 0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1fe8 h ALA 953 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1fe8 h ALA 953 CO -0.02 0.66 -0.10 0.35 0.00 0.00 0.00 179.25 180.13 1fe8 h PHE 954 N 0.63 -0.27 -0.89 0.00 3.04 -0.26 -2.66 116.94 116.53 1fe8 h PHE 954 Ca 0.06 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.08 1fe8 h PHE 954 Cb 0.89 0.09 -0.07 0.00 2.56 0.00 0.00 35.95 39.43 1fe8 h PHE 954 CO 0.05 0.03 0.55 0.82 -2.02 0.00 0.00 178.31 177.74 1fe8 h ILE 955 N -0.57 1.02 -0.17 1.41 2.04 -1.10 0.10 117.51 120.23 1fe8 h ILE 955 Ca -0.03 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1fe8 h ILE 955 Cb 0.42 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1fe8 h ILE 955 CO 0.05 0.18 0.03 0.28 0.00 0.00 0.00 178.15 178.69 1fe8 h SER 956 N 0.98 0.22 0.00 1.72 0.02 -1.06 -2.88 113.55 112.55 1fe8 h SER 956 Ca 0.40 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1fe8 h SER 956 Cb 0.22 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1fe8 h SER 956 CO -0.19 0.23 -1.05 0.29 -1.14 0.00 0.00 176.83 174.97 1fe8 n LYS 957 N -4.43 0.59 -1.98 3.45 5.02 -0.78 -4.99 118.16 115.04 1fe8 n LYS 957 Ca -0.00 -0.03 -0.35 0.00 -2.02 0.00 0.00 58.31 55.91 1fe8 n LYS 957 Cb 0.14 -1.42 0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1fe8 n LYS 957 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fe8 s ALA 958 N -2.91 2.52 -1.25 7.82 0.00 0.28 -4.92 121.76 123.31 1fe8 s ALA 958 Ca 0.05 0.90 -0.14 0.00 0.00 0.00 0.00 51.96 52.77 1fe8 s ALA 958 Cb 0.14 -3.42 0.14 0.00 0.00 0.00 0.00 23.12 19.99 1fe8 s ALA 958 CO 0.80 -1.16 1.59 -1.71 0.00 0.00 0.00 175.76 175.28 1fe8 n ASN 959 N -1.74 5.10 -4.86 0.00 5.15 -1.26 -4.98 115.26 112.66 1fe8 n ASN 959 Ca 0.13 -2.98 -0.31 0.00 -0.60 0.00 0.00 54.58 50.82 1fe8 n ASN 959 Cb 0.50 -1.60 -0.04 0.00 -0.53 0.00 0.00 39.78 38.11 1fe8 n ASN 959 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1fe8 s ILE 960 N 2.06 4.71 0.00 -1.44 -1.09 -1.26 -0.56 121.20 123.62 1fe8 s ILE 960 Ca 0.45 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.69 1fe8 s ILE 960 Cb 0.01 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1fe8 s ILE 960 CO 0.02 -0.40 0.00 0.61 -1.23 0.00 0.00 174.94 173.94 1fe8 n GLY 961 N -0.93 1.39 3.64 6.18 0.00 -1.24 -4.79 105.19 109.44 1fe8 n GLY 961 Ca 0.03 -2.08 -0.55 0.00 0.00 0.00 0.00 46.02 43.42 1fe8 n GLY 961 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fe8 n PRO 962 N -1.54 1.03 -1.03 1.61 -0.02 -1.26 -1.10 135.00 132.69 1fe8 n PRO 962 Ca 0.00 0.37 -0.01 0.00 -2.02 0.00 0.00 63.50 61.84 1fe8 n PRO 962 Cb 0.00 -2.02 -0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1fe8 n PRO 962 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1fe8 n ARG 963 N 3.72 -1.72 0.00 -0.52 5.12 -1.26 -4.91 116.66 117.10 1fe8 n ARG 963 Ca 0.22 0.48 0.00 0.00 -1.93 0.00 0.00 57.85 56.62 1fe8 n ARG 963 Cb 0.15 -4.78 0.00 0.00 -1.16 0.00 0.00 32.46 26.66 1fe8 n ARG 963 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1fe8 n LEU 964 N -0.12 0.00 -4.73 0.55 4.77 -0.26 -2.29 117.00 114.92 1fe8 n LEU 964 Ca -0.01 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.59 1fe8 n LEU 964 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 1fe8 n LEU 964 CO 0.02 0.00 0.12 -0.89 -1.33 0.00 0.00 177.39 175.31 1fe8 s THR 965 N 3.88 5.20 -0.16 -5.08 2.01 0.27 -1.62 115.64 120.14 1fe8 s THR 965 Ca 0.00 0.85 -0.03 0.00 0.31 0.00 0.00 61.69 62.82 1fe8 s THR 965 Cb 0.00 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1fe8 s THR 965 CO 0.00 0.36 -0.06 -1.58 -0.69 0.00 0.00 174.62 172.66 1fe8 s GLN 966 N 0.43 3.58 -0.10 4.92 0.74 -0.17 -3.61 119.66 125.45 1fe8 s GLN 966 Ca 0.24 -0.57 -0.00 0.00 0.05 0.00 0.00 55.36 55.08 1fe8 s GLN 966 Cb -0.15 -2.87 -0.03 0.00 1.10 0.00 0.00 33.01 31.07 1fe8 s GLN 966 CO 0.09 0.18 -0.08 0.08 -0.55 0.00 0.00 175.29 175.01 1fe8 s VAL 967 N 0.50 3.56 0.09 1.34 1.01 -1.26 -1.71 120.40 123.92 1fe8 s VAL 967 Ca -0.05 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.51 1fe8 s VAL 967 Cb -0.15 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1fe8 s VAL 967 CO 0.03 0.56 -0.23 -0.55 0.00 0.00 0.00 175.10 174.91 1fe8 s SER 968 N -0.26 2.77 -0.12 3.32 0.15 -0.39 -4.73 113.70 114.44 1fe8 s SER 968 Ca 0.03 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1fe8 s SER 968 Cb -0.13 -0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.02 1fe8 s SER 968 CO 0.03 0.13 -0.10 -0.69 1.20 0.00 0.00 173.24 173.81 1fe8 s VAL 969 N -1.02 1.16 0.32 4.45 1.01 0.50 -1.04 120.40 125.78 1fe8 s VAL 969 Ca 0.09 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.74 1fe8 s VAL 969 Cb -0.10 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.08 1fe8 s VAL 969 CO 0.04 0.39 0.00 -0.76 0.00 0.00 0.00 175.10 174.77 1fe8 s LEU 970 N 1.53 2.44 -0.04 3.92 1.02 -0.17 -1.04 118.68 126.34 1fe8 s LEU 970 Ca 0.03 -1.30 -0.04 0.00 0.02 0.00 0.00 54.13 52.84 1fe8 s LEU 970 Cb -0.13 -0.59 0.01 0.00 0.02 0.00 0.00 46.19 45.50 1fe8 s LEU 970 CO -0.07 -0.47 0.12 0.00 0.02 0.00 0.00 176.35 175.95 1fe8 s GLN 971 N -3.79 0.14 0.11 1.70 -2.07 -0.75 -0.01 119.66 114.98 1fe8 s GLN 971 Ca 0.33 0.16 0.04 0.00 -1.82 0.00 0.00 55.36 54.08 1fe8 s GLN 971 Cb 0.07 0.06 -0.04 0.00 -1.09 0.00 0.00 33.01 32.01 1fe8 s GLN 971 CO 0.15 -0.02 0.05 1.52 -1.32 0.00 0.00 175.29 175.67 1fe8 s TYR 972 N 0.07 3.07 0.00 9.60 -0.85 -0.70 -1.59 117.35 126.95 1fe8 s TYR 972 Ca -0.00 -0.00 0.00 0.00 -0.52 0.00 0.00 57.07 56.55 1fe8 s TYR 972 Cb -0.01 -1.55 0.00 0.00 0.38 0.00 0.00 41.96 40.79 1fe8 s TYR 972 CO 0.00 0.50 0.00 0.41 -1.52 0.00 0.00 175.55 174.95 1fe8 n GLY 973 N 0.30 0.03 0.28 5.49 0.00 -1.26 -0.95 105.19 109.08 1fe8 n GLY 973 Ca -0.09 0.55 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 1fe8 n GLY 973 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fe8 h SER 974 N 0.00 0.61 -5.25 1.61 0.02 -1.58 -3.37 113.55 105.58 1fe8 h SER 974 Ca 0.00 -0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.72 1fe8 h SER 974 Cb 0.00 -0.16 -0.14 0.00 0.14 0.00 0.00 62.40 62.24 1fe8 h SER 974 CO 0.00 0.65 -0.46 0.27 -1.14 0.00 0.00 176.83 176.15 1fe8 s ILE 975 N -5.05 0.13 -0.22 3.27 -4.36 -1.26 -4.98 121.20 108.72 1fe8 s ILE 975 Ca -0.08 -1.48 -0.16 0.00 -0.26 0.00 0.00 60.65 58.66 1fe8 s ILE 975 Cb 0.15 -1.64 -0.04 0.00 1.25 0.00 0.00 42.46 42.19 1fe8 s ILE 975 CO 0.78 -0.58 0.40 -0.89 0.24 0.00 0.00 174.94 174.89 1fe8 s THR 976 N -3.93 5.18 0.13 8.37 2.01 -1.26 -4.53 115.64 121.60 1fe8 s THR 976 Ca 0.12 0.70 0.10 0.00 0.31 0.00 0.00 61.69 62.92 1fe8 s THR 976 Cb 0.05 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1fe8 s THR 976 CO -0.05 0.21 -0.23 0.42 -0.69 0.00 0.00 174.62 174.28 1fe8 s THR 977 N 1.58 2.51 -0.38 -0.82 -4.23 -0.62 -4.98 115.64 108.70 1fe8 s THR 977 Ca 0.18 -1.67 -0.13 0.00 -1.18 0.00 0.00 61.69 58.89 1fe8 s THR 977 Cb -0.15 -2.14 0.01 0.00 1.34 0.00 0.00 72.50 71.56 1fe8 s THR 977 CO 0.08 0.08 0.26 -0.63 -0.54 0.00 0.00 174.62 173.87 1fe8 s ILE 978 N -1.14 5.13 -0.14 2.99 1.01 -1.26 -1.81 121.20 125.98 1fe8 s ILE 978 Ca 0.16 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.35 1fe8 s ILE 978 Cb -0.10 -3.78 -0.23 0.00 0.01 0.00 0.00 42.46 38.36 1fe8 s ILE 978 CO 0.08 -0.19 0.29 0.47 0.00 0.00 0.00 174.94 175.60 1fe8 n ASP 979 N 5.11 1.16 -3.81 3.58 8.00 -0.20 -4.70 116.55 125.70 1fe8 n ASP 979 Ca -0.12 0.17 -0.30 0.00 0.71 0.00 0.00 54.79 55.25 1fe8 n ASP 979 Cb 0.48 -0.07 -0.15 0.00 -0.02 0.00 0.00 41.12 41.36 1fe8 n ASP 979 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1fe8 s VAL 980 N -2.55 1.30 0.78 2.53 1.01 -0.51 -4.91 120.40 118.05 1fe8 s VAL 980 Ca -0.15 -1.77 -0.12 0.00 0.00 0.00 0.00 61.98 59.93 1fe8 s VAL 980 Cb 0.07 -1.97 0.06 0.00 0.00 0.00 0.00 36.38 34.54 1fe8 s VAL 980 CO 0.77 -0.68 1.15 -2.16 0.00 0.00 0.00 175.10 174.19 1fe8 s PRO 981 N 1.29 2.24 0.86 2.72 0.04 -1.26 -0.37 135.00 140.52 1fe8 s PRO 981 Ca 0.11 0.22 -0.12 0.00 0.04 0.00 0.00 61.00 61.25 1fe8 s PRO 981 Cb -0.18 -1.97 0.12 0.00 0.04 0.00 0.00 34.50 32.50 1fe8 s PRO 981 CO -0.18 -1.42 1.18 -1.58 0.04 0.00 0.00 177.00 175.03 1fe8 s TRP 982 N -3.51 1.68 0.00 0.56 0.23 -1.26 -3.70 118.94 112.94 1fe8 s TRP 982 Ca 0.61 1.74 0.00 0.00 -2.03 0.00 0.00 56.10 56.42 1fe8 s TRP 982 Cb -0.11 -3.42 0.00 0.00 0.03 0.00 0.00 33.47 29.97 1fe8 s TRP 982 CO 0.50 -2.86 0.00 0.09 0.96 0.00 0.00 176.95 175.63 1fe8 n ASN 983 N -3.79 0.00 -4.70 2.95 5.03 -1.26 -4.95 115.26 108.53 1fe8 n ASN 983 Ca 0.13 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.26 1fe8 n ASN 983 Cb 0.51 -0.92 0.14 0.00 -1.02 0.00 0.00 39.78 38.49 1fe8 n ASN 983 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1fe8 s VAL 984 N -2.57 2.25 -0.29 2.41 -7.23 -1.24 -4.77 120.40 108.96 1fe8 s VAL 984 Ca 0.00 0.09 -0.42 0.00 -1.81 0.00 0.00 61.98 59.85 1fe8 s VAL 984 Cb 0.00 -2.30 -0.17 0.00 0.56 0.00 0.00 36.38 34.47 1fe8 s VAL 984 CO 0.00 -0.10 1.66 0.52 -0.31 0.00 0.00 175.10 176.87 1fe8 n VAL 985 N -3.81 0.20 -0.51 1.32 0.31 -1.26 -4.73 118.33 109.85 1fe8 n VAL 985 Ca 0.12 -0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.33 1fe8 n VAL 985 Cb 0.52 -0.98 -0.07 0.00 -0.91 0.00 0.00 33.84 32.40 1fe8 n VAL 985 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1fe8 n PRO 986 N 4.69 1.11 -4.49 5.55 -0.04 -1.26 -4.62 135.00 135.95 1fe8 n PRO 986 Ca 0.27 -0.62 -0.33 0.00 -0.04 0.00 0.00 63.50 62.77 1fe8 n PRO 986 Cb 0.09 -1.85 -0.16 0.00 -0.04 0.00 0.00 33.50 31.54 1fe8 n PRO 986 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1fe8 s GLU 987 N 2.27 3.16 0.25 0.54 0.41 -1.26 -4.68 118.70 119.38 1fe8 s GLU 987 Ca 0.33 -0.77 -0.03 0.00 -0.41 0.00 0.00 54.97 54.08 1fe8 s GLU 987 Cb 0.15 -2.60 0.48 0.00 -1.78 0.00 0.00 34.13 30.38 1fe8 s GLU 987 CO -0.00 -0.03 1.73 0.87 -0.49 0.00 0.00 175.26 177.34 1fe8 h LYS 988 N 7.42 0.43 -0.16 1.61 1.57 -1.93 0.15 116.57 125.65 1fe8 h LYS 988 Ca -0.34 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1fe8 h LYS 988 Cb 1.18 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1fe8 h LYS 988 CO 0.57 0.28 0.08 0.00 -0.57 0.00 0.00 179.45 179.82 1fe8 h ALA 989 N 1.56 1.85 -0.04 3.86 0.00 -1.96 0.28 119.26 124.82 1fe8 h ALA 989 Ca 0.43 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1fe8 h ALA 989 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1fe8 h ALA 989 CO -0.42 0.13 -0.08 1.25 0.00 0.00 0.00 179.25 180.13 1fe8 h HIS 990 N 0.21 0.16 -0.12 0.00 -0.00 -1.07 -1.16 115.15 113.17 1fe8 h HIS 990 Ca 0.06 -0.06 0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1fe8 h HIS 990 Cb 0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 1fe8 h HIS 990 CO 0.00 0.66 0.06 -0.07 -0.00 0.00 0.00 177.93 178.59 1fe8 h LEU 991 N -0.39 0.10 -0.65 0.26 3.38 -0.58 -1.35 115.31 116.09 1fe8 h LEU 991 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1fe8 h LEU 991 Cb 0.65 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 1fe8 h LEU 991 CO 0.02 0.08 0.30 -0.07 0.09 0.00 0.00 178.44 178.85 1fe8 h LEU 992 N 0.14 0.38 -1.25 1.67 4.07 -0.50 -0.04 115.31 119.76 1fe8 h LEU 992 Ca 0.05 0.06 0.03 0.00 0.08 0.00 0.00 57.88 58.09 1fe8 h LEU 992 Cb 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 1fe8 h LEU 992 CO -0.03 0.22 0.52 0.28 -1.08 0.00 0.00 178.44 178.35 1fe8 h SER 993 N 0.53 0.85 0.56 -0.43 0.02 -0.64 0.23 113.55 114.67 1fe8 h SER 993 Ca 0.32 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 61.09 1fe8 h SER 993 Cb 0.33 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1fe8 h SER 993 CO -0.26 0.59 -0.74 -0.07 -1.14 0.00 0.00 176.83 175.21 1fe8 h LEU 994 N 0.99 0.18 -0.28 5.07 3.38 -0.11 -3.10 115.31 121.44 1fe8 h LEU 994 Ca 0.30 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1fe8 h LEU 994 Cb -0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1fe8 h LEU 994 CO -0.08 0.86 0.01 0.58 0.09 0.00 0.00 178.44 179.89 1fe8 h VAL 995 N 0.09 1.25 -0.98 1.22 2.07 0.09 -3.14 116.25 116.86 1fe8 h VAL 995 Ca -0.02 -0.91 0.26 0.00 0.82 0.00 0.00 66.70 66.85 1fe8 h VAL 995 Cb 1.31 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.33 1fe8 h VAL 995 CO 0.11 0.29 0.67 0.44 0.02 0.00 0.00 177.57 179.10 1fe8 h ASP 996 N 0.27 0.22 -1.19 0.57 3.32 -0.92 -3.46 116.42 115.23 1fe8 h ASP 996 Ca 0.08 0.03 -0.70 0.00 0.02 0.00 0.00 57.03 56.46 1fe8 h ASP 996 Cb 0.41 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 39.85 1fe8 h ASP 996 CO 0.01 0.06 2.02 1.33 -1.72 0.00 0.00 179.24 180.94 1fe8 n VAL 997 N -4.41 4.02 0.00 -1.35 0.24 -1.19 -5.12 118.33 110.52 1fe8 n VAL 997 Ca 0.21 -4.24 0.00 0.00 -2.04 0.00 0.00 64.34 58.28 1fe8 n VAL 997 Cb 0.91 -2.39 0.00 0.00 -1.47 0.00 0.00 33.84 30.89 1fe8 n VAL 997 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fe8 n GLN 999 N 7.47 0.00 -1.96 7.34 1.13 -1.26 -5.15 117.38 124.94 1fe8 n GLN 999 Ca 0.46 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 55.10 1fe8 n GLN 999 Cb 0.45 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.77 1fe8 n GLN 999 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1fe8 s ARG 1000N -1.63 4.21 0.22 -1.09 3.52 -1.26 -4.89 118.95 118.02 1fe8 s ARG 1000Ca 0.00 2.29 0.10 0.00 -0.13 0.00 0.00 55.73 57.99 1fe8 s ARG 1000Cb 0.00 -3.51 0.15 0.00 -1.56 0.00 0.00 34.95 30.03 1fe8 s ARG 1000CO 0.00 -0.69 1.49 1.05 -0.81 0.00 0.00 175.30 176.34 1fe8 h GLU 1001N 7.96 0.00 0.00 5.12 4.11 -1.92 -3.50 114.58 126.35 1fe8 h GLU 1001Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1fe8 h GLU 1001Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1fe8 h GLU 1001CO 0.92 0.75 0.00 0.41 0.07 0.00 0.00 179.01 181.16 1fe8 n GLY 1002N 0.69 -1.12 0.00 1.06 0.00 0.85 -4.85 105.19 101.82 1fe8 n GLY 1002Ca -0.01 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1fe8 n GLY 1002CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fe8 n GLY 1003N -1.12 -0.71 3.92 -0.02 0.00 -1.26 -1.84 105.19 104.15 1fe8 n GLY 1003Ca 0.00 -2.21 -0.30 0.00 0.00 0.00 0.00 46.02 43.52 1fe8 n GLY 1003CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fe8 s PRO 1004N -0.15 1.09 -1.01 1.61 0.04 -1.26 -1.06 135.00 134.26 1fe8 s PRO 1004Ca 0.00 -0.22 -0.03 0.00 0.04 0.00 0.00 61.00 60.79 1fe8 s PRO 1004Cb 0.00 -1.88 0.29 0.00 0.04 0.00 0.00 34.50 32.95 1fe8 s PRO 1004CO 0.00 -2.14 1.26 0.43 0.04 0.00 0.00 177.00 176.59 1fe8 n SER 1005N -3.62 5.72 -3.98 6.66 7.64 -1.26 -4.17 113.62 120.60 1fe8 n SER 1005Ca 0.13 -3.33 -0.43 0.00 1.01 0.00 0.00 58.87 56.25 1fe8 n SER 1005Cb 0.60 -1.19 0.01 0.00 -1.01 0.00 0.00 64.21 62.62 1fe8 n SER 1005CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fe8 n GLN 1006N 1.57 3.87 0.24 1.43 6.02 -1.26 -1.74 117.38 127.51 1fe8 n GLN 1006Ca 0.26 -3.93 0.07 0.00 -0.01 0.00 0.00 57.00 53.39 1fe8 n GLN 1006Cb 0.35 -2.78 0.59 0.00 1.02 0.00 0.00 30.24 29.42 1fe8 n GLN 1006CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1fe8 h ILE 1007N 3.71 1.01 -0.07 5.09 2.04 -1.91 -1.17 117.51 126.21 1fe8 h ILE 1007Ca 0.32 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1fe8 h ILE 1007Cb 0.66 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1fe8 h ILE 1007CO 1.47 0.11 0.02 1.23 0.00 0.00 0.00 178.15 180.98 1fe8 h GLY 1008N 0.37 0.13 0.93 5.37 0.00 -1.76 0.11 103.07 108.22 1fe8 h GLY 1008Ca -0.00 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1fe8 h GLY 1008CO 0.01 0.08 0.17 -1.80 0.00 0.00 0.00 176.54 175.00 1fe8 h ASP 1009N -0.10 0.28 -0.35 0.19 3.58 -1.71 -1.92 116.42 116.38 1fe8 h ASP 1009Ca 0.02 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.49 1fe8 h ASP 1009Cb 0.25 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1fe8 h ASP 1009CO 0.00 0.21 0.20 0.00 -2.88 0.00 0.00 179.24 176.77 1fe8 h ALA 1010N 1.13 0.43 -0.22 -0.78 0.00 -1.00 -1.54 119.26 117.29 1fe8 h ALA 1010Ca 0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1fe8 h ALA 1010Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1fe8 h ALA 1010CO -0.06 -0.15 -0.27 1.25 0.00 0.00 0.00 179.25 180.02 1fe8 h LEU 1011N 0.41 0.42 -0.14 0.00 5.85 -0.64 -1.70 115.31 119.52 1fe8 h LEU 1011Ca 0.14 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1fe8 h LEU 1011Cb 0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1fe8 h LEU 1011CO -0.06 0.69 0.05 1.23 -0.34 0.00 0.00 178.44 180.00 1fe8 h GLY 1012N 1.03 0.23 0.72 3.75 0.00 -0.97 -0.67 103.07 107.17 1fe8 h GLY 1012Ca 0.05 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.30 1fe8 h GLY 1012CO 0.05 0.12 0.36 -2.75 0.00 0.00 0.00 176.54 174.33 1fe8 h PHE 1013N 0.05 0.67 -0.73 5.60 3.04 -1.14 -0.99 116.94 123.43 1fe8 h PHE 1013Ca 0.05 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 1fe8 h PHE 1013Cb 0.21 -0.21 -0.04 0.00 2.56 0.00 0.00 35.95 38.47 1fe8 h PHE 1013CO -0.01 0.33 0.38 0.00 -2.02 0.00 0.00 178.31 177.00 1fe8 h ALA 1014N 1.32 1.29 -0.51 2.41 0.00 -0.99 -0.22 119.26 122.57 1fe8 h ALA 1014Ca 0.28 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1fe8 h ALA 1014Cb 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1fe8 h ALA 1014CO -0.16 0.56 0.08 0.28 0.00 0.00 0.00 179.25 180.02 1fe8 h VAL 1015N 1.03 1.25 -0.34 0.00 2.07 -0.27 -0.35 116.25 119.64 1fe8 h VAL 1015Ca 0.26 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1fe8 h VAL 1015Cb 0.05 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1fe8 h VAL 1015CO -0.04 0.33 0.10 0.03 0.02 0.00 0.00 177.57 178.02 1fe8 h ARG 1016N 0.72 0.54 -0.25 1.57 3.08 -0.75 -2.62 114.38 116.66 1fe8 h ARG 1016Ca 0.15 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1fe8 h ARG 1016Cb 0.39 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1fe8 h ARG 1016CO 0.01 0.57 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.52 1fe8 h TYR 1017N 0.40 0.40 0.00 3.04 3.20 -0.85 -0.02 116.97 123.14 1fe8 h TYR 1017Ca 0.11 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1fe8 h TYR 1017Cb 0.26 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1fe8 h TYR 1017CO 0.01 0.44 0.00 1.28 -1.64 0.00 0.00 178.16 178.25 1fe8 n LEU 1018N -4.29 0.00 0.00 2.82 4.77 -0.16 -3.26 117.00 116.88 1fe8 n LEU 1018Ca 0.01 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1fe8 n LEU 1018Cb 0.24 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1fe8 n LEU 1018CO 0.38 -0.08 0.38 0.35 -1.33 0.00 0.00 177.39 177.09 1fe8 n THR 1019N -1.47 0.57 -3.04 -5.08 -2.24 -0.63 -4.77 114.28 97.63 1fe8 n THR 1019Ca 0.07 -0.70 -0.45 0.00 -2.27 0.00 0.00 64.05 60.70 1fe8 n THR 1019Cb 0.27 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 1fe8 n THR 1019CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1fe8 s SER 1020N -0.57 6.73 0.00 3.42 0.15 -0.12 -5.02 113.70 118.30 1fe8 s SER 1020Ca 0.00 -2.35 0.00 0.00 0.70 0.00 0.00 55.95 54.30 1fe8 s SER 1020Cb 0.00 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1fe8 s SER 1020CO 0.00 -0.89 0.00 1.21 1.20 0.00 0.00 173.24 174.76 1fe8 n GLU 1021N 5.70 0.00 0.00 5.44 2.13 -1.26 -2.89 120.64 129.76 1fe8 n GLU 1021Ca 0.23 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1fe8 n GLU 1021Cb 0.48 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.87 1fe8 n GLU 1021CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1fe8 n HIS 1023N 1.61 0.00 0.00 4.31 8.25 -1.26 -4.08 115.22 124.05 1fe8 n HIS 1023Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1fe8 n HIS 1023Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1fe8 n HIS 1023CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fe8 n GLY 1024N 0.00 2.16 3.77 -1.41 0.00 -1.19 -4.66 105.19 103.87 1fe8 n GLY 1024Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1fe8 n GLY 1024CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fe8 s ALA 1025N -2.12 2.96 -0.11 4.61 0.00 -1.14 -4.68 121.76 121.29 1fe8 s ALA 1025Ca 0.00 0.89 -0.13 0.00 0.00 0.00 0.00 51.96 52.72 1fe8 s ALA 1025Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1fe8 s ALA 1025CO 0.00 -0.60 0.29 1.03 0.00 0.00 0.00 175.76 176.48 1fe8 s ARG 1026N -2.73 4.01 0.30 0.00 0.52 -1.26 -4.19 118.95 115.61 1fe8 s ARG 1026Ca 0.64 0.13 -0.29 0.00 -0.52 0.00 0.00 55.73 55.69 1fe8 s ARG 1026Cb -0.27 -3.33 -0.10 0.00 0.52 0.00 0.00 34.95 31.78 1fe8 s ARG 1026CO 0.33 0.46 1.12 -1.25 0.02 0.00 0.00 175.30 175.98 1fe8 s PRO 1027N -0.21 4.54 0.00 3.54 0.04 -1.26 -3.26 135.00 138.39 1fe8 s PRO 1027Ca 0.18 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1fe8 s PRO 1027Cb -0.14 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1fe8 s PRO 1027CO 0.06 0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.62 1fe8 n GLY 1028N 1.05 2.92 3.81 0.56 0.00 -1.26 -5.02 105.19 107.25 1fe8 n GLY 1028Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1fe8 n GLY 1028CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fe8 s ALA 1029N -1.78 2.92 0.60 4.61 0.00 -1.20 -4.99 121.76 121.92 1fe8 s ALA 1029Ca 0.00 0.46 -0.18 0.00 0.00 0.00 0.00 51.96 52.24 1fe8 s ALA 1029Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1fe8 s ALA 1029CO 0.00 -0.27 1.14 -1.12 0.00 0.00 0.00 175.76 175.51 1fe8 s SER 1030N -2.32 5.33 0.09 0.00 0.01 -0.31 -4.80 113.70 111.70 1fe8 s SER 1030Ca 0.64 2.16 0.08 0.00 1.31 0.00 0.00 55.95 60.15 1fe8 s SER 1030Cb -0.13 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 1fe8 s SER 1030CO 0.23 -1.49 -0.22 -0.54 0.41 0.00 0.00 173.24 171.63 1fe8 s LYS 1031N -3.60 1.25 -0.10 12.44 -0.14 -1.26 -0.49 119.74 127.83 1fe8 s LYS 1031Ca 0.72 -1.14 -0.30 0.00 -1.36 0.00 0.00 55.97 53.88 1fe8 s LYS 1031Cb -0.24 -1.52 0.09 0.00 -1.68 0.00 0.00 37.83 34.49 1fe8 s LYS 1031CO 0.34 0.36 0.80 0.00 -0.76 0.00 0.00 175.35 176.10 1fe8 s ALA 1032N -1.06 -1.83 -0.04 5.17 0.00 -0.51 -2.09 121.76 121.40 1fe8 s ALA 1032Ca 0.08 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.51 1fe8 s ALA 1032Cb -0.10 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1fe8 s ALA 1032CO 0.04 -0.34 -0.05 0.08 0.00 0.00 0.00 175.76 175.49 1fe8 s VAL 1033N -1.06 0.52 -0.25 0.00 1.01 -0.37 -0.84 120.40 119.41 1fe8 s VAL 1033Ca -0.07 -0.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 1fe8 s VAL 1033Cb -0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1fe8 s VAL 1033CO 0.06 0.21 0.11 -0.69 0.00 0.00 0.00 175.10 174.79 1fe8 s VAL 1034N 0.73 4.76 -0.19 2.92 1.01 0.07 -0.80 120.40 128.90 1fe8 s VAL 1034Ca -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1fe8 s VAL 1034Cb -0.13 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1fe8 s VAL 1034CO 0.00 0.33 -0.12 -0.51 0.00 0.00 0.00 175.10 174.81 1fe8 s ILE 1035N 1.40 2.81 -0.10 2.22 1.10 -0.52 -0.80 121.20 127.32 1fe8 s ILE 1035Ca 0.06 -0.69 -0.20 0.00 -0.51 0.00 0.00 60.65 59.31 1fe8 s ILE 1035Cb -0.15 -2.23 -0.04 0.00 0.15 0.00 0.00 42.46 40.19 1fe8 s ILE 1035CO 0.05 0.48 0.55 -0.76 -2.11 0.00 0.00 174.94 173.15 1fe8 s LEU 1036N 1.20 4.29 -0.10 8.50 1.43 -0.92 0.13 118.68 133.21 1fe8 s LEU 1036Ca 0.02 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1fe8 s LEU 1036Cb -0.14 -2.82 0.02 0.00 0.03 0.00 0.00 46.19 43.28 1fe8 s LEU 1036CO -0.05 -0.04 -0.08 -0.69 0.23 0.00 0.00 176.35 175.72 1fe8 s VAL 1037N 0.68 1.00 -0.25 -1.59 1.01 0.87 -4.06 120.40 118.06 1fe8 s VAL 1037Ca 0.30 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1fe8 s VAL 1037Cb -0.16 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1fe8 s VAL 1037CO 0.13 0.35 0.27 0.35 0.00 0.00 0.00 175.10 176.20 1fe8 n THR 1038N 4.64 0.00 -4.24 3.92 -2.24 -1.26 -0.29 114.28 114.80 1fe8 n THR 1038Ca -0.15 -0.43 -0.16 0.00 -2.27 0.00 0.00 64.05 61.04 1fe8 n THR 1038Cb 0.50 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.66 1fe8 n THR 1038CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fe8 s ASP 1039N -1.11 0.88 0.03 3.42 -1.08 -1.26 -3.71 116.67 113.83 1fe8 s ASP 1039Ca 0.02 -1.56 -0.27 0.00 -0.52 0.00 0.00 52.55 50.22 1fe8 s ASP 1039Cb 0.03 0.46 -0.05 0.00 -1.46 0.00 0.00 42.92 41.90 1fe8 s ASP 1039CO 0.13 -0.94 0.84 0.68 0.52 0.00 0.00 175.17 176.40 1fe8 s VAL 1040N -3.82 4.78 0.13 1.11 -7.23 -1.15 -4.28 120.40 109.93 1fe8 s VAL 1040Ca 0.40 1.78 -0.31 0.00 -1.81 0.00 0.00 61.98 62.04 1fe8 s VAL 1040Cb 0.05 -4.19 -0.08 0.00 0.56 0.00 0.00 36.38 32.71 1fe8 s VAL 1040CO 0.19 0.28 1.44 -0.55 -0.31 0.00 0.00 175.10 176.15 1fe8 s SER 1041N 0.37 6.76 0.37 4.85 0.15 -1.26 -4.81 113.70 120.14 1fe8 s SER 1041Ca 0.43 2.40 0.24 0.00 0.70 0.00 0.00 55.95 59.72 1fe8 s SER 1041Cb -0.21 -2.59 0.41 0.00 -1.71 0.00 0.00 66.02 61.92 1fe8 s SER 1041CO 0.25 -0.70 1.60 -0.37 1.20 0.00 0.00 173.24 175.22 1fe8 h VAL 1042N 4.18 0.00 -2.62 4.45 -1.51 -1.73 -3.45 116.25 115.56 1fe8 h VAL 1042Ca -0.42 -0.89 -0.59 0.00 -1.23 0.00 0.00 66.70 63.56 1fe8 h VAL 1042Cb 1.21 1.85 -0.11 0.00 -2.13 0.00 0.00 31.29 32.10 1fe8 h VAL 1042CO 0.88 0.00 -0.68 1.51 -1.23 0.00 0.00 177.57 178.05 1fe8 s ASP 1043N -5.79 4.48 0.41 4.19 1.47 -1.26 -5.07 116.67 115.10 1fe8 s ASP 1043Ca 0.07 -0.57 -0.27 0.00 1.18 0.00 0.00 52.55 52.96 1fe8 s ASP 1043Cb 0.07 -0.83 -0.10 0.00 -0.34 0.00 0.00 42.92 41.72 1fe8 s ASP 1043CO 0.67 0.06 1.46 -0.55 0.68 0.00 0.00 175.17 177.49 1fe8 s SER 1044N -3.22 6.13 0.00 2.11 0.15 -1.26 -4.37 113.70 113.23 1fe8 s SER 1044Ca 0.28 3.00 0.10 0.00 0.70 0.00 0.00 55.95 60.03 1fe8 s SER 1044Cb -0.08 -2.66 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 1fe8 s SER 1044CO 0.18 -1.01 0.55 1.33 1.20 0.00 0.00 173.24 175.49 1fe8 n VAL 1045N 0.17 0.00 0.08 4.45 0.24 -1.26 -4.15 118.33 117.86 1fe8 n VAL 1045Ca 0.03 -0.36 -0.12 0.00 -2.04 0.00 0.00 64.34 61.85 1fe8 n VAL 1045Cb 0.40 1.08 -0.05 0.00 -1.47 0.00 0.00 33.84 33.80 1fe8 n VAL 1045CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1fe8 h ASP 1046N 0.75 -0.44 -0.11 -1.34 5.19 -1.93 0.13 116.42 118.66 1fe8 h ASP 1046Ca 0.00 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1fe8 h ASP 1046Cb 0.30 0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 1fe8 h ASP 1046CO 0.00 -0.23 0.05 0.00 -3.12 0.00 0.00 179.24 175.94 1fe8 h ALA 1047N 0.58 0.14 -0.88 3.45 0.00 -1.99 -0.14 119.26 120.42 1fe8 h ALA 1047Ca 0.03 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1fe8 h ALA 1047Cb 0.33 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1fe8 h ALA 1047CO -0.11 -0.28 0.58 0.00 0.00 0.00 0.00 179.25 179.44 1fe8 h ALA 1048N 0.90 1.13 -0.71 0.00 0.00 -1.83 0.09 119.26 118.85 1fe8 h ALA 1048Ca 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1fe8 h ALA 1048Cb 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1fe8 h ALA 1048CO -0.00 0.49 0.29 0.00 0.00 0.00 0.00 179.25 180.03 1fe8 h ALA 1049N 1.34 1.19 -0.17 0.00 0.00 -0.40 -2.03 119.26 119.18 1fe8 h ALA 1049Ca 0.33 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1fe8 h ALA 1049Cb -0.10 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1fe8 h ALA 1049CO -0.08 0.60 -0.67 0.22 0.00 0.00 0.00 179.25 179.31 1fe8 h ASP 1050N 1.02 0.76 -0.86 0.00 3.58 -0.28 -2.80 116.42 117.84 1fe8 h ASP 1050Ca 0.24 -0.46 0.01 0.00 0.42 0.00 0.00 57.03 57.24 1fe8 h ASP 1050Cb 0.18 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.96 1fe8 h ASP 1050CO -0.02 1.23 0.57 0.00 -2.88 0.00 0.00 179.24 178.14 1fe8 h ALA 1051N 0.77 1.40 -0.37 -0.78 0.00 -0.65 -0.15 119.26 119.47 1fe8 h ALA 1051Ca -0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1fe8 h ALA 1051Cb 1.27 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1fe8 h ALA 1051CO 0.13 0.55 0.09 0.00 0.00 0.00 0.00 179.25 180.02 1fe8 h ALA 1052N 1.47 0.49 0.23 0.00 0.00 -1.29 -0.91 119.26 119.24 1fe8 h ALA 1052Ca 0.32 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1fe8 h ALA 1052Cb -0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1fe8 h ALA 1052CO -0.07 0.17 -0.17 -0.09 0.00 0.00 0.00 179.25 179.09 1fe8 h ARG 1053N 0.46 -0.39 -0.97 0.00 2.43 -1.11 0.51 114.38 115.30 1fe8 h ARG 1053Ca 0.12 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.43 1fe8 h ARG 1053Cb 0.32 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.88 1fe8 h ARG 1053CO 0.00 -0.26 0.62 0.77 -1.51 0.00 0.00 179.97 179.59 1fe8 h SER 1054N -0.41 0.87 -0.27 -3.80 0.02 -0.94 -0.44 113.55 108.58 1fe8 h SER 1054Ca -0.01 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1fe8 h SER 1054Cb 0.36 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1fe8 h SER 1054CO -0.01 0.47 0.00 0.59 -1.14 0.00 0.00 176.83 176.74 1fe8 n ASN 1055N -4.59 2.39 -2.41 3.07 3.02 -0.36 -4.90 115.26 111.48 1fe8 n ASN 1055Ca 0.18 -2.21 -0.17 0.00 -0.03 0.00 0.00 54.58 52.34 1fe8 n ASN 1055Cb 0.36 -0.41 -0.01 0.00 -0.61 0.00 0.00 39.78 39.11 1fe8 n ASN 1055CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1fe8 n ARG 1056N 0.33 -1.90 -3.21 3.52 1.74 -0.17 -4.94 116.66 112.03 1fe8 n ARG 1056Ca 0.11 0.85 -0.43 0.00 -0.77 0.00 0.00 57.85 57.60 1fe8 n ARG 1056Cb 0.47 -5.48 -0.07 0.00 -1.02 0.00 0.00 32.46 26.36 1fe8 n ARG 1056CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1fe8 s VAL 1057N -2.87 4.94 0.02 1.55 1.01 0.17 -4.13 120.40 121.11 1fe8 s VAL 1057Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1fe8 s VAL 1057Cb 0.00 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1fe8 s VAL 1057CO 0.00 -0.64 1.21 -0.89 0.00 0.00 0.00 175.10 174.78 1fe8 s THR 1058N 2.47 4.08 -0.13 3.92 2.01 -0.89 -4.27 115.64 122.83 1fe8 s THR 1058Ca 0.15 1.47 -0.03 0.00 0.31 0.00 0.00 61.69 63.59 1fe8 s THR 1058Cb -0.18 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 1fe8 s THR 1058CO 0.14 0.07 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.42 1fe8 s VAL 1059N 1.49 3.97 -0.56 3.82 1.01 -1.26 -1.24 120.40 127.63 1fe8 s VAL 1059Ca 0.58 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1fe8 s VAL 1059Cb -0.28 -2.71 0.14 0.00 0.00 0.00 0.00 36.38 33.53 1fe8 s VAL 1059CO 0.27 0.53 0.32 -0.36 0.00 0.00 0.00 175.10 175.86 1fe8 s PHE 1060N -0.06 3.14 0.14 5.22 0.40 0.02 -4.59 117.98 122.25 1fe8 s PHE 1060Ca 0.02 -3.14 -0.31 0.00 -0.60 0.00 0.00 56.93 52.90 1fe8 s PHE 1060Cb -0.13 -2.68 -0.08 0.00 0.51 0.00 0.00 43.02 40.64 1fe8 s PHE 1060CO 0.02 -0.70 1.32 -2.14 0.70 0.00 0.00 175.22 174.43 1fe8 s PRO 1061N -0.53 4.37 -0.34 0.24 0.02 -1.24 -1.43 135.00 136.10 1fe8 s PRO 1061Ca 0.19 2.00 -0.00 0.00 0.02 0.00 0.00 61.00 63.21 1fe8 s PRO 1061Cb -0.20 -3.25 0.08 0.00 0.02 0.00 0.00 34.50 31.15 1fe8 s PRO 1061CO -0.04 -0.32 0.06 0.42 -0.33 0.00 0.00 177.00 176.78 1fe8 s ILE 1062N 0.70 2.85 -0.09 2.83 -1.09 0.34 -1.89 121.20 124.84 1fe8 s ILE 1062Ca 0.60 -1.81 -0.25 0.00 -2.23 0.00 0.00 60.65 56.97 1fe8 s ILE 1062Cb -0.35 -2.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.67 1fe8 s ILE 1062CO 0.33 -0.37 0.77 -0.83 -1.23 0.00 0.00 174.94 173.60 1fe8 s GLY 1063N 1.34 2.49 -0.13 6.18 0.00 0.64 -0.09 107.32 117.75 1fe8 s GLY 1063Ca 0.02 0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.90 1fe8 s GLY 1063CO -0.04 1.38 -0.22 -0.42 0.00 0.00 0.00 173.10 173.81 1fe8 s ILE 1064N 1.24 2.01 0.00 0.90 1.01 0.60 0.82 121.20 127.79 1fe8 s ILE 1064Ca 0.39 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1fe8 s ILE 1064Cb -0.18 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1fe8 s ILE 1064CO 0.17 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.27 1fe8 n GLY 1065N 4.01 0.34 1.05 6.18 0.00 0.07 -4.46 105.19 112.40 1fe8 n GLY 1065Ca -0.20 -1.30 0.02 0.00 0.00 0.00 0.00 46.02 44.53 1fe8 n GLY 1065CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fe8 n ASP 1066N 1.66 0.45 -0.40 1.61 5.68 -1.26 -4.69 116.55 119.59 1fe8 n ASP 1066Ca 0.00 -1.95 0.04 0.00 -0.50 0.00 0.00 54.79 52.38 1fe8 n ASP 1066Cb 0.00 -0.21 0.09 0.00 -1.14 0.00 0.00 41.12 39.86 1fe8 n ASP 1066CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1fe8 n ARG 1067N 0.26 2.22 -3.55 0.11 0.63 -1.26 -5.02 116.66 110.05 1fe8 n ARG 1067Ca 0.01 -1.65 -0.20 0.00 -0.92 0.00 0.00 57.85 55.09 1fe8 n ARG 1067Cb 0.92 -1.17 -0.01 0.00 0.45 0.00 0.00 32.46 32.65 1fe8 n ARG 1067CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 1fe8 s TYR 1068N -0.91 3.26 -0.50 -0.14 -0.85 -1.24 -2.95 117.35 114.01 1fe8 s TYR 1068Ca 0.14 -0.05 -0.17 0.00 -0.52 0.00 0.00 57.07 56.46 1fe8 s TYR 1068Cb 0.08 -1.90 0.07 0.00 0.38 0.00 0.00 41.96 40.59 1fe8 s TYR 1068CO 0.10 0.09 0.52 0.34 -1.52 0.00 0.00 175.55 175.08 1fe8 s ASP 1069N -4.11 6.18 0.56 -0.18 3.68 -1.26 -4.85 116.67 116.70 1fe8 s ASP 1069Ca 0.42 -1.20 0.28 0.00 2.13 0.00 0.00 52.55 54.17 1fe8 s ASP 1069Cb -0.09 -2.24 1.48 0.00 -1.45 0.00 0.00 42.92 40.62 1fe8 s ASP 1069CO 0.32 -0.80 1.97 0.00 0.13 0.00 0.00 175.17 176.79 1fe8 h ALA 1070N 8.90 2.30 -0.26 3.66 0.00 -1.98 -0.70 119.26 131.17 1fe8 h ALA 1070Ca -0.28 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1fe8 h ALA 1070Cb 1.10 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1fe8 h ALA 1070CO 0.94 -0.66 -0.03 0.00 0.00 0.00 0.00 179.25 179.50 1fe8 h ALA 1071N 1.62 0.36 -0.82 0.00 0.00 -2.00 -2.73 119.26 115.68 1fe8 h ALA 1071Ca 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1fe8 h ALA 1071Cb 1.05 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1fe8 h ALA 1071CO -0.00 0.13 0.49 1.96 0.00 0.00 0.00 179.25 181.83 1fe8 h GLN 1072N 0.25 1.12 -0.72 0.00 4.20 -1.56 -2.25 115.11 116.16 1fe8 h GLN 1072Ca 0.07 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1fe8 h GLN 1072Cb 0.48 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1fe8 h GLN 1072CO 0.02 0.79 0.43 -0.07 -0.67 0.00 0.00 178.83 179.33 1fe8 h LEU 1073N 1.14 0.88 -0.78 1.46 3.38 -1.34 0.12 115.31 120.16 1fe8 h LEU 1073Ca 0.29 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1fe8 h LEU 1073Cb -0.03 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1fe8 h LEU 1073CO -0.05 0.69 0.40 -0.09 0.09 0.00 0.00 178.44 179.48 1fe8 h ARG 1074N 0.99 1.11 -0.23 1.13 2.43 -1.15 -1.92 114.38 116.73 1fe8 h ARG 1074Ca 0.26 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1fe8 h ARG 1074Cb -0.02 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1fe8 h ARG 1074CO -0.05 0.84 -0.00 0.82 -1.51 0.00 0.00 179.97 180.07 1fe8 h ILE 1075N 1.09 1.25 -0.81 1.20 2.04 -0.82 -3.01 117.51 118.45 1fe8 h ILE 1075Ca 0.27 -0.89 0.12 0.00 1.00 0.00 0.00 64.86 65.36 1fe8 h ILE 1075Cb 0.08 1.39 -0.08 0.00 -0.74 0.00 0.00 36.82 37.47 1fe8 h ILE 1075CO -0.04 0.28 0.43 -0.07 0.00 0.00 0.00 178.15 178.74 1fe8 h LEU 1076N 0.17 0.55 0.00 1.44 3.38 -0.48 0.31 115.31 120.68 1fe8 h LEU 1076Ca 0.06 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1fe8 h LEU 1076Cb 0.41 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1fe8 h LEU 1076CO 0.01 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.82 1fe8 n ALA 1077N -2.41 1.91 -0.57 1.53 0.00 -0.75 -4.73 120.51 115.49 1fe8 n ALA 1077Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1fe8 n ALA 1077Cb 0.35 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1fe8 n ALA 1077CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fe8 n GLY 1078N 0.10 2.92 0.34 0.00 0.00 0.11 -3.06 105.19 105.61 1fe8 n GLY 1078Ca 0.08 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.01 1fe8 n GLY 1078CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fe8 h PRO 1079N 0.00 -0.00 0.00 1.61 0.13 -1.89 0.40 132.00 132.25 1fe8 h PRO 1079Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1fe8 h PRO 1079Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1fe8 h PRO 1079CO 0.00 -0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1fe8 n ALA 1080N -3.52 1.81 -0.19 -0.56 0.00 -1.17 -4.93 120.51 111.95 1fe8 n ALA 1080Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1fe8 n ALA 1080Cb 0.46 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1fe8 n ALA 1080CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fe8 n GLY 1081N 0.31 2.74 0.33 0.00 0.00 0.14 -0.19 105.19 108.52 1fe8 n GLY 1081Ca 0.03 0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.26 1fe8 n GLY 1081CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fe8 h ASP 1082N 0.00 0.00 -0.97 1.61 3.45 -1.88 -2.54 116.42 116.09 1fe8 h ASP 1082Ca 0.00 0.00 0.12 0.00 0.43 0.00 0.00 57.03 57.58 1fe8 h ASP 1082Cb 0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 38.69 1fe8 h ASP 1082CO 0.00 0.00 0.62 -1.28 -1.57 0.00 0.00 179.24 177.01 1fe8 h SER 1083N 0.00 0.87 -0.35 6.45 0.87 -0.97 -1.48 113.55 118.94 1fe8 h SER 1083Ca 0.04 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1fe8 h SER 1083Cb 0.31 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1fe8 h SER 1083CO -0.00 0.47 0.00 0.59 -0.53 0.00 0.00 176.83 177.36 1fe8 n ASN 1084N -4.59 3.19 -4.83 6.23 3.02 -0.96 -4.94 115.26 112.38 1fe8 n ASN 1084Ca 0.18 -1.96 -0.38 0.00 -0.03 0.00 0.00 54.58 52.40 1fe8 n ASN 1084Cb 0.36 -0.22 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 1fe8 n ASN 1084CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fe8 s VAL 1085N -1.55 5.14 -0.08 2.41 1.01 -0.56 -3.66 120.40 123.12 1fe8 s VAL 1085Ca 0.38 0.71 0.03 0.00 0.00 0.00 0.00 61.98 63.09 1fe8 s VAL 1085Cb 0.22 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.95 1fe8 s VAL 1085CO 0.31 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 175.12 1fe8 s VAL 1086N -0.90 1.42 -0.16 2.92 1.01 -0.79 -4.98 120.40 118.91 1fe8 s VAL 1086Ca 0.22 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1fe8 s VAL 1086Cb -0.16 -1.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1fe8 s VAL 1086CO 0.11 0.42 -0.13 -0.54 0.00 0.00 0.00 175.10 174.95 1fe8 s LYS 1087N 0.55 3.26 -0.09 2.72 1.02 -1.26 -0.26 119.74 125.69 1fe8 s LYS 1087Ca -0.16 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.12 1fe8 s LYS 1087Cb -0.16 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.44 1fe8 s LYS 1087CO 0.05 0.01 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.88 1fe8 s LEU 1088N 0.84 2.89 0.03 3.17 1.43 0.24 -4.95 118.68 122.33 1fe8 s LEU 1088Ca -0.04 -0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 52.69 1fe8 s LEU 1088Cb -0.15 -1.62 -0.18 0.00 0.03 0.00 0.00 46.19 44.26 1fe8 s LEU 1088CO -0.00 0.29 1.23 1.56 0.23 0.00 0.00 176.35 179.65 1fe8 h GLN 1089N 5.81 0.47 -6.19 1.70 1.08 -1.84 0.24 115.11 116.38 1fe8 h GLN 1089Ca -0.40 -0.38 -0.57 0.00 -1.45 0.00 0.00 58.65 55.85 1fe8 h GLN 1089Cb 1.18 0.07 -0.23 0.00 -0.05 0.00 0.00 27.48 28.45 1fe8 h GLN 1089CO 0.53 1.01 -0.83 1.03 -0.95 0.00 0.00 178.83 179.62 1fe8 s ARG 1090N -3.70 1.21 0.35 1.46 0.52 -1.26 -3.74 118.95 113.78 1fe8 s ARG 1090Ca -0.13 -1.12 0.06 0.00 -0.52 0.00 0.00 55.73 54.02 1fe8 s ARG 1090Cb 0.05 -1.45 0.72 0.00 0.52 0.00 0.00 34.95 34.79 1fe8 s ARG 1090CO 0.81 0.35 1.93 0.97 0.02 0.00 0.00 175.30 179.38 1fe8 h ILE 1091N 4.14 0.99 0.00 1.52 6.09 -1.95 -0.09 117.51 128.20 1fe8 h ILE 1091Ca -0.46 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 62.76 1fe8 h ILE 1091Cb 1.17 0.13 0.00 0.00 0.47 0.00 0.00 36.82 38.59 1fe8 h ILE 1091CO 0.41 0.14 0.00 -0.62 -3.07 0.00 0.00 178.15 175.01 1fe8 n GLU 1092N -4.50 0.03 0.02 2.19 4.71 -1.26 -1.29 120.64 120.55 1fe8 n GLU 1092Ca 0.13 0.40 0.12 0.00 -0.01 0.00 0.00 57.16 57.80 1fe8 n GLU 1092Cb 0.27 -1.57 0.26 0.00 -1.01 0.00 0.00 31.44 29.40 1fe8 n GLU 1092CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1fe8 n ASP 1093N -1.63 0.52 0.23 1.62 8.00 -0.05 -4.15 116.55 121.11 1fe8 n ASP 1093Ca 0.01 -0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.42 1fe8 n ASP 1093Cb 0.09 0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 1fe8 n ASP 1093CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1fe8 h LEU 1094N 0.00 -0.50 -1.78 0.64 5.85 -1.29 -3.13 115.31 115.10 1fe8 h LEU 1094Ca 0.00 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1fe8 h LEU 1094Cb 0.60 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1fe8 h LEU 1094CO 0.00 -0.36 0.18 1.55 -0.34 0.00 0.00 178.44 179.48 1fe8 h PRO 1095N -0.60 0.29 -2.38 5.25 0.13 -1.76 -3.31 132.00 129.62 1fe8 h PRO 1095Ca -0.06 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1fe8 h PRO 1095Cb 0.46 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.52 1fe8 h PRO 1095CO 0.10 0.19 0.17 2.41 -0.23 0.00 0.00 178.00 180.64 1fe8 n THR 1096N -4.50 0.31 0.00 1.56 -1.04 -1.19 -2.57 114.28 106.86 1fe8 n THR 1096Ca 0.02 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1fe8 n THR 1096Cb 0.13 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.35 1fe8 n THR 1096CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1fe8 n VAL 1098N 2.37 0.00 0.50 12.58 0.31 -1.25 -1.56 118.33 131.29 1fe8 n VAL 1098Ca 0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.16 1fe8 n VAL 1098Cb 0.09 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.92 1fe8 n VAL 1098CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1fe8 h THR 1099N 0.00 0.00 -1.15 2.52 1.35 -1.84 -3.40 112.91 110.39 1fe8 h THR 1099Ca 0.00 -0.00 -0.36 0.00 -0.55 0.00 0.00 66.41 65.50 1fe8 h THR 1099Cb 0.00 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1fe8 h THR 1099CO 0.00 0.00 1.29 -0.11 -0.25 0.00 0.00 175.52 176.45 1fe8 n LEU 1100N -5.44 1.94 0.00 3.87 7.94 -0.60 -4.67 117.00 120.04 1fe8 n LEU 1100Ca -0.16 -0.68 0.03 0.00 -1.11 0.00 0.00 56.01 54.09 1fe8 n LEU 1100Cb 0.50 -1.52 -0.01 0.00 0.53 0.00 0.00 43.42 42.92 1fe8 n LEU 1100CO 0.38 -1.75 -0.04 0.61 -1.11 0.00 0.00 177.39 175.49 1fe8 n GLY 1101N 6.22 -1.59 0.09 -3.96 0.00 -1.26 -4.50 105.19 100.18 1fe8 n GLY 1101Ca 0.42 -1.22 0.04 0.00 0.00 0.00 0.00 46.02 45.27 1fe8 n GLY 1101CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fe8 n ASN 1102N -1.61 2.25 -0.38 1.61 3.02 -1.26 -4.80 115.26 114.09 1fe8 n ASN 1102Ca 0.00 -2.44 -0.07 0.00 -0.03 0.00 0.00 54.58 52.04 1fe8 n ASN 1102Cb 0.09 -0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 39.02 1fe8 n ASN 1102CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1fe8 n SER 1103N -0.79 -0.86 -0.09 6.41 7.64 -1.26 -0.32 113.62 124.34 1fe8 n SER 1103Ca 0.07 1.65 -0.12 0.00 1.01 0.00 0.00 58.87 61.48 1fe8 n SER 1103Cb 0.43 -0.26 -0.04 0.00 -1.01 0.00 0.00 64.21 63.32 1fe8 n SER 1103CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1fe8 h PHE 1104N 0.00 0.59 -0.68 1.43 3.57 -1.90 -3.15 116.94 116.80 1fe8 h PHE 1104Ca 0.20 -0.14 0.09 0.00 3.53 0.00 0.00 57.97 61.65 1fe8 h PHE 1104Cb 0.44 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.97 1fe8 h PHE 1104CO -0.91 0.75 0.33 1.25 -2.23 0.00 0.00 178.31 177.50 1fe8 h LEU 1105N 0.25 0.43 0.00 0.59 5.85 -1.38 0.13 115.31 121.18 1fe8 h LEU 1105Ca 0.06 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1fe8 h LEU 1105Cb 0.58 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1fe8 h LEU 1105CO 0.03 0.25 0.00 1.41 -0.34 0.00 0.00 178.44 179.80 1fe8 n HIS 1106N -4.88 0.00 0.36 1.25 8.25 0.56 -2.63 115.22 118.12 1fe8 n HIS 1106Ca 0.10 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.40 1fe8 n HIS 1106Cb 0.25 -0.44 -0.08 0.00 1.12 0.00 0.00 29.99 30.84 1fe8 n HIS 1106CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1fe8 h LYS 1107N 0.00 -0.88 -0.00 -0.41 1.57 -0.70 -2.98 116.57 113.17 1fe8 h LYS 1107Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1fe8 h LYS 1107Cb 0.18 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1fe8 h LYS 1107CO 0.00 -0.55 -0.02 1.47 -0.57 0.00 0.00 179.45 179.78 1fe8 n LEU 1108N -5.42 0.25 0.00 2.94 -0.00 -1.16 -4.84 117.00 108.76 1fe8 n LEU 1108Ca -0.13 -0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.81 1fe8 n LEU 1108Cb 0.38 -0.08 -0.01 0.00 -0.00 0.00 0.00 43.42 43.71 1fe8 n LEU 1108CO 0.33 0.04 -0.04 0.00 -0.00 0.00 0.00 177.39 177.73